Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A/3B' and Ligand = 'BDBM50081974'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50081974 (4-(4-Benzyl-piperazin-1-yl)-7-fluoro-pyrrolo[1,2-a...) Show SMILES Fc1ccc2c(c1)nc(N1CCN(Cc3ccccc3)CC1)c1cccn21 Show InChI InChI=1S/C22H21FN4/c23-18-8-9-20-19(15-18)24-22(21-7-4-10-27(20)21)26-13-11-25(12-14-26)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor from rat cortical homogenate using [3H]-zacopride as radioligand				J Med Chem 42: 4362-79 (1999) BindingDB Entry DOI: 10.7270/Q2S75FJM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Homo sapiens (Human))	BDBM50081974 (4-(4-Benzyl-piperazin-1-yl)-7-fluoro-pyrrolo[1,2-a...) Show SMILES Fc1ccc2c(c1)nc(N1CCN(Cc3ccccc3)CC1)c1cccn21 Show InChI InChI=1S/C22H21FN4/c23-18-8-9-20-19(15-18)24-22(21-7-4-10-27(20)21)26-13-11-25(12-14-26)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a
Universita' degli Studi di Salerno Curated by ChEMBL					Assay Description Effective concentration against 5-Hydroxytryptamine 3 receptor by measuring [14C]-guanidinium uptake on NG108-15 cells.				J Med Chem 42: 4362-79 (1999) BindingDB Entry DOI: 10.7270/Q2S75FJM
					More data for this Ligand-Target Pair